element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
model name:
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:19:36      -12.554264         0.307550
BFGS:    1 17:19:36      -12.557702         0.214024
BFGS:    2 17:19:36      -12.560926         0.000734
BFGS:    3 17:19:36      -12.560926         0.000016
BFGS:    4 17:19:36      -12.560926         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.590350312274032e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.60098926661118, 9.033974750969079e-35, 9.814992220683933e-34], [-7.314595295845594e-34, 3.60098926661118, 2.5062455863508883e-22], [7.226797255091391e-34, 2.5062455863478273e-22, 3.60098926661118]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.59035031e-11 -9.59035031e-11 -9.59035031e-11  4.29031509e-26
 -2.97048133e-35  7.03585159e-51]
energy per atom =  -6.280463066873726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0